Geometry & MOs

Info

ID:	234400
PubChem CID:	92298344
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	3.56
IP(EA), eV:	-8.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O[C@H](C)C(=O)NC2CCCCC2)Cl

DOS

IR

Vibrations